SCHEMBL9844744

SCHEMBL9844744

COC(=O)c1cc(CCc2cc3c(O)nc(N)nc3[nH]2)cs1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 3/20 0.40
FOLR2 P14207 2/20 0.40
GART P22102 2/20 0.40
SLC46A1 Q96NT5 2/20 0.40
SLC19A1 P41440 1/20 0.40
EGFR P00533 7/20 0.38
FLT1 P17948 3/20 0.38
PDGFRB P09619 4/20 0.35
DAO P14920 1/20 0.34
KDR P35968 2/20 0.33
AOC3 Q16853 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9844981 0.81 EGFR (0.46) EGFRFLT1PDGFRBKDRALDH1A1
SCHEMBL9849678 0.79 DAO (0.38) FOLR1FOLR2GARTSLC19A1DAO
SCHEMBL1603787 0.77 GART (0.65) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL9850000 0.75 FOLR2 (0.37) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL9850059 0.75 FOLR2 (0.39) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL9849648 0.74 FOLR2 (0.37) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL9844839 0.71 EGFR (0.46) EGFRFLT1PDGFRBALDH1A1
SCHEMBL9850003 0.70 CYP4A11 (0.49) DAOALDH1A1LMNAMAPT
SCHEMBL8226496 0.68 DAO (0.47) DAOMEN1ALDH1A1MAPTKMT2A
SCHEMBL28342951 0.67 DAO (0.44) DAOALDH1A1LMNAMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed